(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-(phenylmethyl)azanium

Systemtic Name: (4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: [4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: benzyl-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C19H22N5S+ MolecularWeight: 352.47648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4

InChI

InChI=1S/C19H21N5S/c1-22(13-15-6-3-2-4-7-15)14-23-19(25)24(17-9-10-17)18(21-23)16-8-5-11-20-12-16/h2-8,11-12,17H,9-10,13-14H2,1H3/p+1